| SpectraBase Compound ID | 6kXmxx44gKG |
|---|---|
| InChI | InChI=1S/C6H9NO/c1-2-6(8)4-3-5-7/h2-4H2,1H3 |
| InChIKey | ZUEOZCBPTFMWGI-UHFFFAOYSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GBfkQOFjhCR |
|---|---|
| Name | 4-Oxohexanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c1-2-6(8)4-3-5-7/h2-4H2,1H3 |
| InChIKey | ZUEOZCBPTFMWGI-UHFFFAOYSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | C(CC(=O)CC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960985 |